Industrial Purity Specifications For 2-Chloro-3-Fluoro-5-Nitropyridine
- Strict ≥99.0% purity standards ensure API intermediate reliability for pharmaceutical synthesis.
- Advanced analytical methods verify C5H2ClFN2O2 structural integrity and impurity profiles.
- Comprehensive COA documentation supports GMP compliance and international customs clearance.
In the landscape of modern pharmaceutical and agrochemical development, the reliability of heterocyclic intermediates is paramount. 2-Chloro-3-fluoro-5-nitropyridine (CAS: 1079179-12-6) serves as a critical building block for constructing complex molecular architectures. As demand scales for anti-cancer and anti-inflammatory agents, the requirement for consistent industrial purity has become a defining factor in supply chain selection. Buyers must evaluate not only the chemical specifications but also the robustness of the manufacturing process behind the material.
At NINGBO INNO PHARMCHEM CO.,LTD., we understand that downstream reaction yields depend heavily on the quality of incoming raw materials. This technical overview details the specifications, analytical verification methods, and documentation standards required for high-volume procurement of this vital pyridine derivative.
Understanding ≥99.0% Purity Standards in API Intermediates
The chemical formula C5H2ClFN2O2 represents a highly functionalized pyridine ring where the positioning of chloro, fluoro, and nitro groups dictates reactivity. In industrial applications, a purity threshold of 99.0% or higher is typically mandated to prevent side reactions during nucleophilic aromatic substitution. Impurities such as residual starting materials (e.g., 3-fluoro-5-nitropyridin-2-ol) or over-chlorinated byproducts can significantly disrupt catalytic cycles.
Standard physical properties for the commercial grade material include:
| Property | Specification |
|---|---|
| Appearance | White to Light Yellow Solid |
| Molecular Weight | 176.53 g/mol |
| Boiling Point | 247.0±35.0 °C (Predicted) |
| Density | 1.595±0.06 g/cm³ (Predicted) |
| Storage Conditions | Inert gas (Nitrogen/Argon) at 2-8°C |
| Purity (HPLC Area %) | ≥ 99.0% |
Maintaining these specifications requires precise control over the halogenation steps. Deviations in temperature or stoichiometry during production can lead to isomeric impurities that are difficult to separate in later stages.
Optimized Synthesis Route and Manufacturing Process
The most efficient synthesis route for this compound involves the chlorination of 3-fluoro-5-nitropyridin-2(1H)-one. A general industrial procedure utilizes phosphorus trichloride (PCl3) and phosphorus pentachloride (PCl5) under controlled thermal conditions. The reaction mixture is typically stirred at 60 °C for approximately 10 hours to ensure complete conversion.
Post-reaction workup involves quenching into crushed ice followed by extraction with ethyl acetate. While laboratory-scale purification often relies on silica gel column chromatography to achieve yields around 97%, large-scale production utilizes recrystallization and distillation techniques to maintain cost-efficiency without sacrificing quality. When sourcing high-purity 2-Chloro-3-fluoro-5-nitropyridine, buyers should verify that the supplier employs scalable purification methods suitable for tonnage production rather than merely adapting lab protocols.
Analytical Methods for Verifying C5H2ClFN2O2 Quality
Quality assurance relies on multi-method analytical validation. High-Performance Liquid Chromatography (HPLC) is the primary tool for quantifying organic impurities, ensuring the main peak area meets the ≥99.0% threshold. However, HPLC alone is insufficient for full structural confirmation.
Comprehensive quality control suites should include:
- NMR Spectroscopy: 1H and 13C NMR are essential to confirm the substitution pattern on the pyridine ring and detect isomeric contaminants.
- GC-MS: Gas Chromatography-Mass Spectrometry helps identify volatile organic impurities and residual solvents.
- Karl Fischer Titration: Determines water content, which is critical for moisture-sensitive downstream reactions.
- ICP-MS: Inductively Coupled Plasma Mass Spectrometry detects trace heavy metals, ensuring compliance with ICH Q3D guidelines.
These methods collectively ensure that the C5H2ClFN2O2 delivered meets the rigorous demands of medicinal chemistry and process development teams.
Role of COA and Batch Documentation in GMP Compliance
In regulated industries, the physical product is only half of the deliverable. The accompanying documentation validates the supply chain integrity. A valid Certificate of Analysis (COA) must accompany every batch, detailing the specific test results against established specifications. This document is non-negotiable for customs clearance and regulatory audits.
Essential documentation packages include:
- Certificate of Analysis (COA): Lists batch-specific data for purity, moisture, and impurities.
- Safety Data Sheets (SDS): Provides comprehensive safety information on handling, storage, and disposal, including GHS hazard statements (e.g., H302, H315).
- Certificate of Origin (COO): Confirms the country of manufacture, which is vital for tariff classification and trade compliance.
Reliable suppliers maintain digital archives of these documents, allowing clients to search by Lot Number for historical data tracking. This transparency is a hallmark of a trusted global manufacturer.
Commercial Considerations and Bulk Procurement
Pricing dynamics for fluorinated pyridines fluctuate based on raw material availability and energy costs associated with the manufacturing process. While research-grade quantities often command a high bulk price per gram, industrial contracts are structured around metric ton volumes to optimize cost-per-unit. Buyers should expect tiered pricing models that reflect purity grades and delivery terms (FOB/CIF).
Supply chain stability is another critical factor. As a premier global manufacturer, NINGBO INNO PHARMCHEM CO.,LTD. ensures consistent availability through robust inventory management and dedicated production lines. This mitigates the risk of project delays caused by material shortages. Furthermore, storage requirements must be adhered to strictly; the compound should be kept under inert gas at 2-8°C to prevent degradation during transit and warehousing.
By prioritizing technical specifications, verified analytical data, and comprehensive documentation, procurement teams can secure a supply of 2-Chloro-3-fluoro-5-nitropyridine that supports efficient scale-up and regulatory success.